N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline

C42H34N2 — CID 70893138

About N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline

N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline (PubChem CID 70893138) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
• PubChem CID: 70893138
• Molecular Formula: C42H34N2
• Molecular Weight: 566.75 g/mol
• Exact Mass: 566.27
• IUPAC Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
• SMILES: CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C42H34N2/c1-41(2)34-18-11-17-32-33-25-28(26-37-39(33)44(38(32)34)40-35(41)19-12-20-36(40)42(37,3)4)27-21-23-31(24-22-27)43(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-26H,1-4H3
• InChIKey: QCHBKTDTYSFORD-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.75
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline?

The IUPAC name of N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline (CID 70893138) is N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline.

What is the SMILES notation for N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline?

The canonical SMILES for N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(c12)C3(C)C.

What is the InChIKey of N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline?

The InChIKey is QCHBKTDTYSFORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-41(2)34-18-11-17-32-33-25-28(26-37-39(33)44(38(32)34)40-35(41)19-12-20-36(40)42(37,3)4)27-21-23-31(24-22-27)43(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-26H,1-4H3.

What are the key properties of N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline?

N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline has a molecular weight of 566.75 g/mol, XLogP of 11.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline is sourced from PubChem (CID 70893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).